Geometry & MOs

Info

ID:	161822
PubChem CID:	57392779
Reduced:	ClNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	437.197792
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	2.83
IP(EA), eV:	-9.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-1H-indol-2-yl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1COC2=CC=CC=C2[C@@H](N1C(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations